General Information of the Compound
| Compound ID |
CP0918783
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| Compound Name |
ethyl 6'-amino-1-benzyl-5',5',7'-tricyano-2-oxo-5',8a'-dihydro-1'H-spiro[indoline-3,8'-isoquinoline]-2'(3'H)-carboxylate
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| Structure |
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| Formula |
C29H24N6O3
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| Molecular Weight |
504.55
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| Canonical SMILES |
CCOC(=O)N1CC=C2C(C1)C1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)C2(C#N)C#N
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| InChI |
InChI=1S/C29H24N6O3/c1-2-38-27(37)34-13-12-20-23(16-34)29(22(14-30)25(33)28(20,17-31)18-32)21-10-6-7-11-24(21)35(26(29)36)15-19-8-4-3-5-9-19/h3-12,23H,2,13,15-16,33H2,1H3
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| InChIKey |
HVARMSBQVRYMEU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound